N-ethyl-2-iminobut-3-en-1-amine

C6H12N2 — CID 123563525

IUPACN-ethyl-2-iminobut-3-en-1-amine
SMILES[H]/N=C(\C=C)CNCC
InChIInChI=1S/C6H12N2/c1-3-6(7)5-8-4-2/h3,7-8H,1,4-5H2,2H3/b7-6+
InChIKeyXCPODTISVJQDAX-VOTSOKGWSA-N
MW112.18 g/mol
LogP0.80
Rot. Bonds4

About N-ethyl-2-iminobut-3-en-1-amine

N-ethyl-2-iminobut-3-en-1-amine (PubChem CID 123563525) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethyl-2-iminobut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-iminobut-3-en-1-amine
PubChem CID123563525
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethyl-2-iminobut-3-en-1-amine
SMILES[H]/N=C(\C=C)CNCC
InChIInChI=1S/C6H12N2/c1-3-6(7)5-8-4-2/h3,7-8H,1,4-5H2,2H3/b7-6+
InChIKeyXCPODTISVJQDAX-VOTSOKGWSA-N
XLogP0.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
2-imino-N-methylpent-3-en-1-amine
CID 123939168
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
N-ethyl-2-methyliminobut-3-en-1-amine
CID 130440572
N-methyl-2-methyliminobut-3-en-1-amine
CID 130440574
N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
CID 134485867
2-ethenylimino-N-methylbut-3-en-1-amine
CID 142908110
but-3-en-2-imine;N-methylmethanamine
CID 143908305
(Z)-2-imino-N-methylpent-3-en-1-amine
CID 144211258
2-ethenylimino-N-ethylbut-3-en-1-amine
CID 144791965
2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen
CID 145065646
2-Iminopropyl-methyl-prop-2-enylazanium
CID 153279990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iminobut-3-en-1-amine?
The IUPAC name of N-ethyl-2-iminobut-3-en-1-amine (CID 123563525) is N-ethyl-2-iminobut-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-iminobut-3-en-1-amine?
The canonical SMILES for N-ethyl-2-iminobut-3-en-1-amine is [H]/N=C(\C=C)CNCC.
What is the InChIKey of N-ethyl-2-iminobut-3-en-1-amine?
The InChIKey is XCPODTISVJQDAX-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(7)5-8-4-2/h3,7-8H,1,4-5H2,2H3/b7-6+.
What are the key properties of N-ethyl-2-iminobut-3-en-1-amine?
N-ethyl-2-iminobut-3-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iminobut-3-en-1-amine is sourced from PubChem (CID 123563525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).